| CAS Number | 1031702-80-3 |
| Catalog Number | AG008X44(AGN-PC-0WBN6W) |
| Chemical Name | 4-(4-Acetyl-2-methoxy-5-nitrophenoxy)-butanoic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-(4-acetyl-2-methoxy-5-nitrophenoxy)butanoate |
| InChI | InChI=1S/C15H19NO7/c1-4-22-15(18)6-5-7-23-14-9-12(16(19)20)11(10(2)17)8-13(14)21-3/h8-9H,4-7H2,1-3H3 |
| InChI Key | QFBXDFLAZPHMAN-UHFFFAOYSA-N |
| MDL Number | MFCD28143236 |
| Molecular Formula | C15H19NO7 |
| Molecular Weight | 325.3139 |
| SMILES | CCOC(=O)CCCOc1cc(c(cc1OC)C(=O)C)[N+](=O)[O-] |
| Synonyms | 1031702-80-3,
4-(4-Acetyl-2-methoxy-5-nitrophenoxy)-butanoic Acid Ethyl Ester,
ethyl 4-(4-acetyl-2-methoxy-5-nitrophenoxy)butanoate,
QFBXDFLAZPHMAN-UHFFFAOYSA-N,
SCHEMBL14331200,
DTXSID10744160,
ZINC77270373,
FT-0661292,
J3.507.690E,
A1-06987,
ethyl 4-(4-ethanoyl-2-methoxy-5-nitrophenoxy)butanoate,
4-(2-Methoxy-4-acetyl-5-nitrophenoxy)butyric acid ethyl ester,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.317g/mol |
| Monoisotopic Mass | 325.116g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number